SCHEMBL2523641

SCHEMBL2523641

CCCCCCC(=O)OCCCCC[O]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.74
NAAA Q02083 1/20 0.62
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
DNM1 Q05193 1/20 0.61
HTR2C P28335 1/20 0.59
PAM P19021 2/20 0.56
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.53
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
FAAH O00519 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7695250 1.00 DGKA (0.74) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL8092345 1.00 DGKA (0.74) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL7689665 1.00 DGKA (0.74) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL2532102 1.00 DGKA (0.74) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL7688943 1.00 DGKA (0.74) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL2533166 1.00 DGKA (0.74) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL2532357 1.00 DGKA (0.74) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL2529725 1.00 DGKA (0.74) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL2527426 0.98 DGKA (0.70) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL2531822 0.94 DGKA (0.70) DGKANAAAPRSS1PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed